CID 154049028

C22H24HfSi-2 — CID 154049028

IUPAC—
SMILESC[Si]C.Cc1ccc2cc[cH-]c2c1.Cc1ccc2cc[cH-]c2c1.[Hf]
InChIInChI=1S/2C10H9.C2H6Si.Hf/c2*1-8-5-6-9-3-2-4-10(9)7-8;1-3-2;/h2*2-7H,1H3;1-2H3;/q2*-1;;
InChIKeyOXHXJWQQQMSWNF-UHFFFAOYSA-N
MW495.01 g/mol
LogP6.52
Rot. Bonds

About CID 154049028

CID 154049028 (PubChem CID 154049028) has the molecular formula C22H24HfSi-2 and a molecular weight of 495.01 g/mol.

Molecular Properties

Compound NameCID 154049028
PubChem CID154049028
Molecular FormulaC22H24HfSi-2
Molecular Weight495.01 g/mol
Exact Mass496.11
IUPAC Name—
SMILESC[Si]C.Cc1ccc2cc[cH-]c2c1.Cc1ccc2cc[cH-]c2c1.[Hf]
InChIInChI=1S/2C10H9.C2H6Si.Hf/c2*1-8-5-6-9-3-2-4-10(9)7-8;1-3-2;/h2*2-7H,1H3;1-2H3;/q2*-1;;
InChIKeyOXHXJWQQQMSWNF-UHFFFAOYSA-N
XLogP6.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.01
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 154049028?
The IUPAC name of CID 154049028 (CID 154049028) is not available.
What is the SMILES notation for CID 154049028?
The canonical SMILES for CID 154049028 is C[Si]C.Cc1ccc2cc[cH-]c2c1.Cc1ccc2cc[cH-]c2c1.[Hf].
What is the InChIKey of CID 154049028?
The InChIKey is OXHXJWQQQMSWNF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H9.C2H6Si.Hf/c2*1-8-5-6-9-3-2-4-10(9)7-8;1-3-2;/h2*2-7H,1H3;1-2H3;/q2*-1;;.
What are the key properties of CID 154049028?
CID 154049028 has a molecular weight of 495.01 g/mol, XLogP of 6.52, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 154049028 is sourced from PubChem (CID 154049028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).